2-fluoro-N,2-dimethyl-N-propan-2-ylbutan-1-amine

C9H20FN — CID 123971017

IUPAC2-fluoro-N,2-dimethyl-N-propan-2-ylbutan-1-amine
SMILESCCC(C)(F)CN(C)C(C)C
InChIInChI=1S/C9H20FN/c1-6-9(4,10)7-11(5)8(2)3/h8H,6-7H2,1-5H3
InChIKeyIFUKSGDSMCVUQH-UHFFFAOYSA-N
MW161.26 g/mol
LogP2.46
Rot. Bonds4

About 2-fluoro-N,2-dimethyl-N-propan-2-ylbutan-1-amine

2-fluoro-N,2-dimethyl-N-propan-2-ylbutan-1-amine (PubChem CID 123971017) has the molecular formula C9H20FN and a molecular weight of 161.26 g/mol. Its IUPAC name is 2-fluoro-N,2-dimethyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name2-fluoro-N,2-dimethyl-N-propan-2-ylbutan-1-amine
PubChem CID123971017
Molecular FormulaC9H20FN
Molecular Weight161.26 g/mol
Exact Mass161.16
IUPAC Name2-fluoro-N,2-dimethyl-N-propan-2-ylbutan-1-amine
SMILESCCC(C)(F)CN(C)C(C)C
InChIInChI=1S/C9H20FN/c1-6-9(4,10)7-11(5)8(2)3/h8H,6-7H2,1-5H3
InChIKeyIFUKSGDSMCVUQH-UHFFFAOYSA-N
XLogP2.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.26
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-Diisopropylbutylamine
CID 11062646
Flurotributyl amine
CID 24758913
Fluorotributylamine
CID 87204294
Butylamine, N-isopropyl-N-methyl-
CID 559386
Dibutylisopropylamine
CID 14964140
2-Diisopropylaminoethyl fluoride
CID 560834
3-fluoro-N,N-di(propan-2-yl)propan-1-amine
CID 20687155
N,N-dibutyl-1-fluoro-2-methylpropan-1-amine
CID 20735606
N-(2-fluoroethyl)-N,3-dimethylbutan-1-amine
CID 20811853
N-ethyl-N-(4-fluorobutyl)-3-methylbutan-1-amine
CID 57118728
N-butan-2-yl-N-(2,2,2-trifluoroethyl)butan-1-amine
CID 57680067
3-Fluoro-3-methyl-1-propan-2-ylpyrrolidine
CID 58148557

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N,2-dimethyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of 2-fluoro-N,2-dimethyl-N-propan-2-ylbutan-1-amine (CID 123971017) is 2-fluoro-N,2-dimethyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 2-fluoro-N,2-dimethyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 2-fluoro-N,2-dimethyl-N-propan-2-ylbutan-1-amine is CCC(C)(F)CN(C)C(C)C.
What is the InChIKey of 2-fluoro-N,2-dimethyl-N-propan-2-ylbutan-1-amine?
The InChIKey is IFUKSGDSMCVUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20FN/c1-6-9(4,10)7-11(5)8(2)3/h8H,6-7H2,1-5H3.
What are the key properties of 2-fluoro-N,2-dimethyl-N-propan-2-ylbutan-1-amine?
2-fluoro-N,2-dimethyl-N-propan-2-ylbutan-1-amine has a molecular weight of 161.26 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N,2-dimethyl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 123971017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).